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3-[(2,3,4-triethanoylphenyl)carbamothioylsulfanyl]propanoic acid

3-[(2,3,4-triethanoylphenyl)carbamothioylsulfanyl]propanoic acid

Systemtic Name:3-[(2,3,4-triethanoylphenyl)carbamothioylsulfanyl]propanoic acid
Openeye Name:3-[(2,3,4-triacetylphenyl)carbamothioylsulfanyl]propanoic acid
CAS Name:3-[[sulfanylidene-(2,3,4-triacetylanilino)methyl]thio]propanoic acid
IUPAC Name:3-[(2,3,4-triacetylphenyl)carbamothioylsulfanyl]propanoic acid
Traditional Name:3-[(2,3,4-triacetylphenyl)thiocarbamoylthio]propionic acid
Formula: C16H17NO5S2
MolecularWeight: 367.43988
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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C(=C(C=C1)NC(=S)SCCC(=O)O)C(=O)C)C(=O)C


Isomeric SMILES

CC(=O)C1=C(C(=C(C=C1)NC(=S)SCCC(=O)O)C(=O)C)C(=O)C


InChI

InChI=1S/C16H17NO5S2/c1-8(18)11-4-5-12(15(10(3)20)14(11)9(2)19)17-16(23)24-7-6-13(21)22/h4-5H,6-7H2,1-3H3,(H,17,23)(H,21,22)


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